Details of the Drug

General Information of Drug (ID: DMVYEZ1)

Drug Name

Furo[2,3d]Pyrimidine Antifolate

Synonyms

Dpmmabg; furo[2,3d]pyrimidine antifolate; CHEMBL104829; 156595-85-6; N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE; MOT; MTXO; AC1L4JTH; CTK4C9124; DTXSID50166105; 2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid; BDBM50091145; AKOS030607152; DB02026; N-(4-(((2,4-Diaminofuro(2,3-d)pyrimidin-5-yl)methyl)methylamino)benzoyl)-L-glutamic acid; N-(4-(N-((2,4-Diamino-furo(2,3-d)pyrimidin-5-yl)methyl)methylamino)benzoyl)glutamic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

442.4

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C20H22N6O6
IUPAC Name: (2S)-2-[[4-[(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Canonical SMILES: CN(CC1=COC2=NC(=NC(=C12)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI: InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)/t13-/m0/s1
InChIKey: WXINNGCGSCFUCR-ZDUSSCGKSA-N